1-(furan-2-ylmethylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(furan-2-ylmethylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(2-furylmethylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(2-furanylmethylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(furan-2-ylmethylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(2-furfurylamino)isoquinoline-3-carboxylic acid Formula: C15H12N2O3 MolecularWeight: 268.26738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2NCC3=CC=CO3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2NCC3=CC=CO3)C(=O)O

InChI

InChI=1S/C15H12N2O3/c18-15(19)13-8-10-4-1-2-6-12(10)14(17-13)16-9-11-5-3-7-20-11/h1-8H,9H2,(H,16,17)(H,18,19)